(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-isobutyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-isobutyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN(C(C2)C(=O)NCCN)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C3=CC=CS3

InChI

InChI=1S/C25H33N5O2S/c1-18(2)16-29(17-20-7-5-19(15-27)6-8-20)21-9-12-30(25(32)23-4-3-13-33-23)22(14-21)24(31)28-11-10-26/h3-8,13,18,21-22H,9-12,14,16-17,26H2,1-2H3,(H,28,31)/t21?,22-/m1/s1